4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one

C16H19F3N4O2 — CID 154576092

IUPAC4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C16H19F3N4O2/c17-16(18,19)6-3-15(24)22-8-4-12(5-9-22)11-25-14-2-1-13-20-7-10-23(13)21-14/h1-2,7,10,12H,3-6,8-9,11H2
InChIKeyOQZHRRXQSIUJCI-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.69
Rot. Bonds5

About 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one (PubChem CID 154576092) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one
PubChem CID154576092
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C16H19F3N4O2/c17-16(18,19)6-3-15(24)22-8-4-12(5-9-22)11-25-14-2-1-13-20-7-10-23(13)21-14/h1-2,7,10,12H,3-6,8-9,11H2
InChIKeyOQZHRRXQSIUJCI-UHFFFAOYSA-N
XLogP2.69
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one (CID 154576092) is 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one?
The InChIKey is OQZHRRXQSIUJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c17-16(18,19)6-3-15(24)22-8-4-12(5-9-22)11-25-14-2-1-13-20-7-10-23(13)21-14/h1-2,7,10,12H,3-6,8-9,11H2.
What are the key properties of 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one has a molecular weight of 356.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 154576092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).